Geometry & MOs

Info

ID:	178600
PubChem CID:	76355001
Reduced:	SN5O5C23H37 (1)
Stoich.:	AB5C5D23E37 (1)
Weight, g/mol:	430.137399
ΔH_f, kcal/mol:	-222.57
Dipole, Da:	9.26
IP(EA), eV:	-8.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CN1C2C(C(CC(N2)C3CC3)C(=O)NC4CS(=O)(=O)CC4N5CCCC5)C(=O)NC1=O

DOS

IR

Vibrations